Unimolecular Decomposition Reactions of Propylamine and Protonated Propylamine

Almatarneh, Mansour H.; Elayan, Ismael A.; al-Sulaibi, Mazen; Khawaldeh, Ahmad Al; Saber, Sadeekah O. W.; Al-Qaralleh, Mahmood; Altarawneh, Mohammednoor

doi:10.1021/acsomega.8b02792

Cited by 25 publications

(12 citation statements)

References 48 publications

(86 reference statements)

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“…It is worth noting that all bond lengths in TS1, TS2A, and TS2B are in excellent agreement with the reported studies for the unimolecular dissociation reactions of propylamine and protonated propylamine 28 . The thermodynamic properties of these pathways were found to be endothermic and endergonic with all levels employed.…”

Section: Resultssupporting

confidence: 89%

Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine

Almatarneh

Omari

Omeir

et al. 2020

Sci Rep

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A detailed computational study of the dehydrogenation reaction of trans-propylamine (trans-pA) in the gas phase has been performed using density functional method (DFT) and CBS-QB3 calculations. Different mechanistic pathways were studied for the reaction of n-propylamine. Both thermodynamic functions and activation parameters were calculated for all investigated pathways. Most of the dehydrogenation reaction mechanisms occur in a concerted step transition state as an exothermic process. the mechanisms for pathways A and B comprise two key-steps: H 2 eliminated from pA leading to the formation of allylamine that undergoes an unimolecular dissociation in the second step of the mechanism. Among these pathways, the formation of ethyl cyanide and H 2 is the most significant one (pathway B), both kinetically and thermodynamically, with an energy barrier of 416 kJ mol −1. the individual mechanisms for the pathways from c to n involve the dehydrogenation reaction of PA via hydrogen ion, ammonia ion and methyl cation. The formation of α-propylamine cation and nH 3 (pathway E) is the most favorable reaction with an activation barrier of 1 kJ mol −1. this pathway has the lowest activation energy calculated of all proposed pathways. Propylamine is of significant importance in chemistry, as it constitutes a central structure block for aliphatic amines 1. It is widely utilized as a solvent in organic synthesis, and as a finishing agent for drugs, rubber, fiber, paints, pesticides, textile and resin 2,3 , and in the generation of fungicides 4-6. Furthermore, it may very well be used as a petroleum additive and preservative. The disintegration of protonated of propylamine has attracted a noteworthy arrangement of fascination in the previous decade 7-10. This is mainly due to the way that the proton affinity and the structural difference in propylamine through protonation influences the separation items through the arrangement of protonated amines, methane, propene and hydrogen gas 11,12. Additionally, this reaction prompts the generation of various poisonous synthetic substances such as, alkyl cyanide, propylene, ethylene, nitrogen and hydrogen gases 13,14. Protonation (B + H + → BH +) and deprotonation (dehydrogenation) (HA − H + → A −) reactions assume a significant role in natural science and organic chemistry, where A and B are the acidic and the basic centers, respectively. They are considered as the first step in several fundamental chemical mechanisms elucidated in the cited reference 15. The ability of an atom or molecule in the gas phase to accept or to lose a proton can be described by calculating the proton affinity (PA), deprotonation (dehydrogenation) enthalpy, and molecular gasphase basicity, which offer a profound understanding of the connections between the reactivity of the organic molecules, their molecular structures, and molecular stability 16. The negative of the enthalpy change related to the gas-phase protonation reaction is referred to as proton affinity, while dehydrogenation energy is defined as the en...

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Section: Resultssupporting

confidence: 89%

Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine

Almatarneh

Omari

Omeir

et al. 2020

Sci Rep

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“…The tests of these antimony ultra-traces are shown to be extremely suitable in water samples where a maximum suggested residual stipulation is 10 μg/kg suggesting that antimony (II) can be studied in natural water samples (Almatarneh et al, 2019). The layer powder on platinum surfaces was analyzed by cyclic voltammetry on the electrode before and after the pre-concentration stage in antimony solution (Figure 3).…”

Section: Resultsmentioning

confidence: 99%

<strong>Electrochemical Sensors and Determination for Heavy Metal by Rotating Disk Platinum Electrode and Chronoamperometric Method</strong>

Alkhawaldeh¹,

Alzawahreh²,

Alkhawaldeh³

2020

Preprint

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Pollution by heavy metals is one of the most severe environmental issues that threaten global sustainability. This review presents a recent advance in electrochemical sensors for heavy metal detection Rotating Disk Platinum Electrode are discussed. This study on the production of a modern natural water electrochemical antimony (II) and cupper (II) test include the use of platinum electrode. Antimony and cupper were pre-concentrated on the modified electrode surface and adsorbed to the surface, oxidizing at E = 540 mV and E = 85 mV, respectively. After 20 min of accumulation, time the best-defined anodic peak was obtained of surface. The precision was tested by carrying out chronoamperometric measurements at a concentration of Sb+2 and Cu+2 8.5x10-8 M and 9.5x10-7 M, respectively.

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“…The tests of these antimony ultra-traces are shown to be extremely suitable in water samples where a maximum suggested residual stipulation is 10 μg/kg suggesting that antimony (II) can be studied in natural water samples (Almatarneh et al, 2019). Figure 4; The calibration plot generated using the optimum conditions determined at pH 6.5 and 0.2 mol.l -1…”

Section: Resultsmentioning

confidence: 99%

Analytics of Antimony in Natural Water of Nanoparticle Platinum Electrode by Application Square Wave Voltammetry

Alkhawaldeh¹

2020

Preprint

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This study on the production of a modern natural water electrochemical antimony (II) test include the use of platinum platinum electrode electrodes. Antimony (II) was pre-concentrated on the modified electrode surface and adsorbed to the surface, oxidizing at E = -680 mV. Compared to the platinum electrode, the platinum nanoelectrode exhibited superior performance and, unexpectedly, received a higher electrochemical response. After 25 min of accumulation, time the best-defined anodic peak was obtained with 0.2 mol L-1 KNO3 pH 5.0. Using these parameters, the L-1 Sb 2 + calibration plot was linear over range 1 = 10−8 to 5x10−6 mol. The precision was tested by carrying out eight replicate measurements at a concentration of 2.5x10−5 mol. L-1; the variance coefficient was 2.9%. The method was applied to analyte determination in water samples from the river. Other metal ion attack on Sb's (II) voltammetric response has been studied. In the SEM image, the nanoparticle electrode was clearly observed and characterized by X-ray diffraction and cyclic voltammetry

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Unimolecular Decomposition Reactions of Propylamine and Protonated Propylamine

Cited by 25 publications

References 48 publications

Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine

Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine

<strong>Electrochemical Sensors and Determination for Heavy Metal by Rotating Disk Platinum Electrode and Chronoamperometric Method</strong>

Analytics of Antimony in Natural Water of Nanoparticle Platinum Electrode by Application Square Wave Voltammetry

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